SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZVJ_A_SAMA301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bnk PROTEIN
(3-METHYLADENINE DNA
GLYCOSYLASE)

(Homo sapiens) 		PF02245
(Pur_DNA_glyco) 		5 MET A 168
ASN A 169
GLY A 154
TYR A 157
ARG A  85
 None
 1.37A 2zvjA-1bnkA:
undetectable		 2zvjA-1bnkA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 GLY A 320
TYR A 318
TYR A 487
MET A 299
HIS A 500
 None
 1.41A 2zvjA-1r6vA:
2.0		 2zvjA-1r6vA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.77A 2zvjA-1susA:
21.7		 2zvjA-1susA:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A  62
GLU A  15
TYR A  32
HIS A  16
ARG A  40
 None
 1.21A 2zvjA-1vkzA:
3.6		 2zvjA-1vkzA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET B 682
ASN B 683
VAL B 684
TYR B 720
MET B 725
 None
 1.41A 2zvjA-2bkuB:
undetectable		 2zvjA-2bkuB:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.36A 2zvjA-3akfA:
undetectable		 2zvjA-3akfA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		11 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.32A 2zvjA-3bwmA:
39.7		 2zvjA-3bwmA:
80.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.40A 2zvjA-3fsgA:
2.8		 2zvjA-3fsgA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 MET X 412
ASN X 413
GLY X 437
HIS X 464
ARG X 496
 None
 1.45A 2zvjA-3kvnX:
1.4		 2zvjA-3kvnX:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ASN A 104
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.49A 2zvjA-3ntvA:
21.4		 2zvjA-3ntvA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 VAL A 198
GLY A  55
TYR A 344
TRP A 170
ARG A  52
 None
 1.29A 2zvjA-3up4A:
2.6		 2zvjA-3up4A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ASN A 263
VAL A 243
TYR A 269
MET A 288
TRP A 304
 None
 1.36A 2zvjA-4hvtA:
undetectable		 2zvjA-4hvtA:
14.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 114
ASN A 135
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
None
 0.53A 2zvjA-4p58A:
33.3		 2zvjA-4p58A:
97.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLU A 107
GLY A 109
TYR A 138
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
 1.02A 2zvjA-4p58A:
33.3		 2zvjA-4p58A:
97.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASN A 324
GLY A 314
TYR A 313
ASN A 353
ARG A 358
 None
 1.44A 2zvjA-4sliA:
undetectable		 2zvjA-4sliA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 MET A 211
VAL A 217
GLY A  22
HIS A  24
ARG A   8
 None
 1.47A 2zvjA-4u02A:
undetectable		 2zvjA-4u02A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ASN A 288
GLY A 278
TYR A 277
ASN A 317
ARG A 322
 None
 1.46A 2zvjA-4x6kA:
undetectable		 2zvjA-4x6kA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 VAL A 526
GLU A 902
TYR A 657
ASN A 601
ARG A 604
 None
 1.42A 2zvjA-5iy9A:
undetectable		 2zvjA-5iy9A:
7.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 GLU A 105
GLY A 106
TYR A  92
TRP A 301
ARG A 300
 None
None
None
None
NAG  A 818 (-3.7A)
 1.40A 2zvjA-5jifA:
undetectable		 2zvjA-5jifA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.57A 2zvjA-5kvaA:
21.8		 2zvjA-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.60A 2zvjA-5kvaA:
21.8		 2zvjA-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n11 HEMAGGLUTININ-ESTERA
SE

(Betacoronavirus
1) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 GLU A 101
GLY A 102
TYR A  88
TRP A 292
ARG A 291
 None
None
None
None
NAG  A 511 (-3.8A)
 1.42A 2zvjA-5n11A:
undetectable		 2zvjA-5n11A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.49A 2zvjA-5nqfA:
undetectable		 2zvjA-5nqfA:
19.09